2-(2-benzamidopropanoylsulfanyl)ethanoate

Systemtic Name: 2-(2-benzamidopropanoylsulfanyl)ethanoate Openeye Name: 2-(2-benzamidopropanoylsulfanyl)acetate CAS Name: 2-[(2-benzamido-1-oxopropyl)thio]acetate IUPAC Name: 2-(2-benzamidopropanoylsulfanyl)acetate Traditional Name: 2-(2-benzamidopropanoylthio)acetate Formula: C12H12NO4S- MolecularWeight: 266.29298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SCC(=O)[O-])NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)SCC(=O)[O-])NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H13NO4S/c1-8(12(17)18-7-10(14)15)13-11(16)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,16)(H,14,15)/p-1